[5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol

C14H15NO2S — CID 175134378

IUPAC[5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol
SMILESCOc1ccc(CSc2ccc(CO)nc2)cc1
InChIInChI=1S/C14H15NO2S/c1-17-13-5-2-11(3-6-13)10-18-14-7-4-12(9-16)15-8-14/h2-8,16H,9-10H2,1H3
InChIKeyFSUOULDYFONVKI-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.87
Rot. Bonds5

About [5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol

[5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol (PubChem CID 175134378) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is [5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol
PubChem CID175134378
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name[5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol
SMILESCOc1ccc(CSc2ccc(CO)nc2)cc1
InChIInChI=1S/C14H15NO2S/c1-17-13-5-2-11(3-6-13)10-18-14-7-4-12(9-16)15-8-14/h2-8,16H,9-10H2,1H3
InChIKeyFSUOULDYFONVKI-UHFFFAOYSA-N
XLogP2.87
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-2-[5-[(4-methoxyphenyl)methylsulfanyl]pyrimidin-2-yl]ethenamine
CID 168898446
2-[5-[(4-methoxyphenyl)methylsulfanyl]pyrimidin-2-yl]ethenamine
CID 174076896
[4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium
CID 91412865
5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43302210
(4-methoxyphenyl)methanol
CID 7738
(7-methoxyisoquinolin-3-yl)methanol
CID 133056400
1-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2-methylpropan-1-one
CID 82164974
[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]methanol
CID 61257374
[2-[(4-chlorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
CID 22576438
[2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
CID 7622046
2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine
CID 10038347
N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide
CID 20712298

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol?
The IUPAC name of [5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol (CID 175134378) is [5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol?
The canonical SMILES for [5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol is COc1ccc(CSc2ccc(CO)nc2)cc1.
What is the InChIKey of [5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol?
The InChIKey is FSUOULDYFONVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-17-13-5-2-11(3-6-13)10-18-14-7-4-12(9-16)15-8-14/h2-8,16H,9-10H2,1H3.
What are the key properties of [5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol?
[5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol has a molecular weight of 261.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol is sourced from PubChem (CID 175134378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).